7SK7
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![BU of 7sk7 by Molmil](/molmil-images/mine/7sk7) | Cryo-EM structure of human ACKR3 in complex with CXCL12, a small molecule partial agonist CCX662, and an extracellular Fab | Descriptor: | (1R)-4-[7-(3-carboxypropoxy)-6-methylquinolin-8-yl]-1-{[2-(4-hydroxypiperidin-1-yl)-1,3-thiazol-4-yl]methyl}-1,4-diazepan-1-ium, Anti-Fab nanobody, Atypical chemokine receptor 3, ... | Authors: | Yen, Y.C, Schafer, C.T, Gustavsson, M, Handel, T.M, Tesmer, J.J.G. | Deposit date: | 2021-10-19 | Release date: | 2022-07-27 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structures of atypical chemokine receptor 3 reveal the basis for its promiscuity and signaling bias. Sci Adv, 8, 2022
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6ESJ
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![BU of 6esj by Molmil](/molmil-images/mine/6esj) | Human butyrylcholinesterase in complex with propidium | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3,8-DIAMINO-5[3-(DIETHYLMETHYLAMMONIO)PROPYL]-6-PHENYLPHENANTHRIDINIUM, ... | Authors: | Nachon, F, Brazzolotto, X, Wandhammer, M, Trovaslet-Leroy, M, Macdonald, I.R, Darvesh, S, Rosenberry, T.L. | Deposit date: | 2017-10-20 | Release date: | 2017-12-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.979845 Å) | Cite: | Comparison of the Binding of Reversible Inhibitors to Human Butyrylcholinesterase and Acetylcholinesterase: A Crystallographic, Kinetic and Calorimetric Study. Molecules, 22, 2017
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1ULT
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![BU of 1ult by Molmil](/molmil-images/mine/1ult) | Crystal structure of tt0168 from Thermus thermophilus HB8 | Descriptor: | CITRIC ACID, long chain fatty acid-CoA ligase | Authors: | Hisanaga, Y, Ago, H, Nakatsu, T, Hamada, K, Ida, K, Kanda, H, Yamamoto, M, Hori, T, Arii, Y, Sugahara, M, Kuramitsu, S, Yokoyama, S, Miyano, M, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2003-09-16 | Release date: | 2004-07-27 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Structural basis of the substrate specific two-step catalysis of long chain fatty acyl-CoA synthetase dimer J.Biol.Chem., 279, 2004
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1HZV
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![BU of 1hzv by Molmil](/molmil-images/mine/1hzv) | DOMAIN SWING UPON HIS TO ALA MUTATION IN NITRITE REDUCTASE OF PSEUDOMONAS AERUGINOSA | Descriptor: | HEME C, HEME D, NITRIC OXIDE, ... | Authors: | Brown, K, Tegoni, M, Cambillau, C. | Deposit date: | 2001-01-26 | Release date: | 2001-09-26 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (2.83 Å) | Cite: | Domain swing upon His to Ala mutation in nitrite reductase of Pseudomonas aeruginosa. J.Mol.Biol., 312, 2001
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1ZO2
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![BU of 1zo2 by Molmil](/molmil-images/mine/1zo2) | Structure of nuclear transport factor 2 (Ntf2) from Cryptosporidium parvum | Descriptor: | nuclear transport factor 2 | Authors: | Choe, J, Artz, J.D, Gao, M, Lew, J, Zhao, Y, Arrowsmith, C, Edwards, A, Sundstrom, M, Bochkarev, A, Hui, R, Structural Genomics Consortium (SGC) | Deposit date: | 2005-05-12 | Release date: | 2005-05-31 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Genome-scale protein expression and structural biology of Plasmodium falciparum and related Apicomplexan organisms. Mol.Biochem.Parasitol., 151, 2007
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6PPR
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![BU of 6ppr by Molmil](/molmil-images/mine/6ppr) | Cryo-EM structure of AdnA(D934A)-AdnB(D1014A) in complex with AMPPNP and DNA | Descriptor: | ATP-dependent DNA helicase (UvrD/REP), DNA (70-MER), IRON/SULFUR CLUSTER, ... | Authors: | Jia, N, Unciuleac, M, Shuman, S, Patel, D.J. | Deposit date: | 2019-07-08 | Release date: | 2019-11-20 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Structures and single-molecule analysis of bacterial motor nuclease AdnAB illuminate the mechanism of DNA double-strand break resection. Proc.Natl.Acad.Sci.USA, 116, 2019
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7PRM
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![BU of 7prm by Molmil](/molmil-images/mine/7prm) | CRYSTAL STRUCTURE OF HUMAN MONOGLYCERIDE LIPASE WITH COMPOUND 13 | Descriptor: | (4~{R})-1-[4-(4-fluorophenyl)phenyl]-4-[4-(furan-2-ylcarbonyl)piperazin-1-yl]pyrrolidin-2-one, 1,2-ETHANEDIOL, Monoglyceride lipase | Authors: | Grether, U, Gobbi, L, Kuhn, B, Collin, L, Leibrock, L, Heer, D, Wittwer, M, Benz, J. | Deposit date: | 2021-09-22 | Release date: | 2022-02-16 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Development of High Brain-Penetrant and Reversible Monoacylglycerol Lipase PET Tracers for Neuroimaging. J.Med.Chem., 65, 2022
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6P3L
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![BU of 6p3l by Molmil](/molmil-images/mine/6p3l) | Crystal Structure of Ketosteroid Isomerase from Mycobacterium hassiacum (mhKSI) | Descriptor: | GUANIDINE, SULFATE ION, SnoaL-like domain protein | Authors: | Yabukarski, F, Doukov, T, Pinney, M, Herschlag, D. | Deposit date: | 2019-05-23 | Release date: | 2020-05-27 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.571 Å) | Cite: | Parallel molecular mechanisms for enzyme temperature adaptation. Science, 371, 2021
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5F00
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![BU of 5f00 by Molmil](/molmil-images/mine/5f00) | CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH 5-[3-[(3-chloro-8-quinolyl)amino]phenyl]-5-methyl-2,6-dihydro-1,4-oxazin-3-amine | Descriptor: | (5~{R})-5-[3-[(3-chloranylquinolin-8-yl)amino]phenyl]-5-methyl-2,6-dihydro-1,4-oxazin-3-amine, Beta-secretase 1, DIMETHYL SULFOXIDE, ... | Authors: | Banner, D, Benz, J, Stihle, M, Kuglstatter, A. | Deposit date: | 2015-11-27 | Release date: | 2016-02-24 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | A Real-World Perspective on Molecular Design. J.Med.Chem., 59, 2016
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7PE1
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![BU of 7pe1 by Molmil](/molmil-images/mine/7pe1) | |
7PE2
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6LZ9
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![BU of 6lz9 by Molmil](/molmil-images/mine/6lz9) | |
6FAI
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![BU of 6fai by Molmil](/molmil-images/mine/6fai) | Structure of a eukaryotic cytoplasmic pre-40S ribosomal subunit | Descriptor: | 20S ribosomal RNA, 40S ribosomal protein S0-A, 40S ribosomal protein S1-A, ... | Authors: | Scaiola, A, Pena, C, Weisser, M, Boehringer, D, Leibundgut, M, Klingauf-Nerurkar, P, Gerhardy, S, Panse, V.G, Ban, N. | Deposit date: | 2017-12-15 | Release date: | 2018-02-28 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structure of a eukaryotic cytoplasmic pre-40S ribosomal subunit. EMBO J., 37, 2018
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8R79
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![BU of 8r79 by Molmil](/molmil-images/mine/8r79) | The D2 domain of human DTX3L | Descriptor: | E3 ubiquitin-protein ligase DTX3L, SULFATE ION | Authors: | Vela-Rodriguez, C, Lehtio, L, Maksimainen, M, Duman, R, Wagner, A, Glumoff, T. | Deposit date: | 2023-11-24 | Release date: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Oligomerisation mediated by the D2 domain of DTX3L is critical for DTX3L-PARP9 reading function of mono-ADP-ribosylated androgen receptor. Biorxiv, 2023
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1V8Z
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![BU of 1v8z by Molmil](/molmil-images/mine/1v8z) | X-ray crystal structure of the Tryptophan Synthase b2 Subunit from Hyperthermophile, Pyrococcus furiosus | Descriptor: | PYRIDOXAL-5'-PHOSPHATE, SODIUM ION, Tryptophan synthase beta chain 1 | Authors: | Hioki, Y, Ogasahara, K, Lee, S.J, Ma, J, Ishida, M, Yamagata, Y, Matsuura, Y, Ota, M, Kuramitsu, S, Yutani, K, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2004-01-15 | Release date: | 2005-02-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | The crystal structure of the tryptophan synthase beta subunit from the hyperthermophile Pyrococcus furiosus. Investigation of stabilization factors Eur.J.Biochem., 271, 2004
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6EU9
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![BU of 6eu9 by Molmil](/molmil-images/mine/6eu9) | Crystal structure of Platynereis dumerilii RAR ligand-binding domain in complex with all-trans retinoic acid | Descriptor: | RETINOIC ACID, Retinoic acid receptor | Authors: | Handberg-Thorsager, M, Gutierrez-Mazariegos, J, Arold, S.T, Nadendla, E.K, Bertucci, P.Y, Germain, P, Tomancak, P, Pierzchalski, K, Jones, J.W, Albalat, R, Kane, M.A, Bourguet, W, Laudet, V, Arendt, D, Schubert, M. | Deposit date: | 2017-10-29 | Release date: | 2018-03-14 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | The ancestral retinoic acid receptor was a low-affinity sensor triggering neuronal differentiation. Sci Adv, 4, 2018
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5F02
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![BU of 5f02 by Molmil](/molmil-images/mine/5f02) | CATHEPSIN L IN COMPLEX WITH (2S,4R)-4-(2-Chloro-4-methoxy-benzenesulfonyl)-1-[3-(5-chloro-pyridin-2-yl)-azetidine-3-carbonyl]-pyrrolidine-2-carboxylic acid (1-cyano-cyclopropyl)-amide | Descriptor: | (2~{S},4~{R})-4-[(2-chloranyl-4-methoxy-phenyl)-bis(oxidanyl)-$l^{4}-sulfanyl]-1-[3-(5-chloranylpyridin-2-yl)azetidin-3-yl]carbonyl-~{N}-[1-(iminomethyl)cyclopropyl]pyrrolidine-2-carboxamide, Cathepsin L1, GLYCEROL | Authors: | Banner, D, Benz, J, Stihle, M, Kuglstatter, A. | Deposit date: | 2015-11-27 | Release date: | 2016-02-24 | Last modified: | 2016-05-25 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | A Real-World Perspective on Molecular Design. J.Med.Chem., 59, 2016
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7PP0
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![BU of 7pp0 by Molmil](/molmil-images/mine/7pp0) | Crystal structure of the VIM-2 acquired metallo-beta-Lactamase in complex with compound 28 (JMV-7038) | Descriptor: | 2-[2-[3-[3-(2-morpholin-4-ylethoxy)phenyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethyl]benzoic acid, ACETATE ION, Metallo-beta-lactamase VIM-2-like protein, ... | Authors: | Tassone, G, Benvenuti, M, Verdirosa, F, Corsica, G, Chelini, G, De Luca, F, Docquier, J.D, Pozzi, C, Mangani, S. | Deposit date: | 2021-09-10 | Release date: | 2022-03-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | 1,2,4-Triazole-3-Thione Analogues with a 2-Ethylbenzoic Acid at Position 4 as VIM-type Metallo-beta-Lactamase Inhibitors. Chemmedchem, 17, 2022
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5F1P
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![BU of 5f1p by Molmil](/molmil-images/mine/5f1p) | Crystal Structure of Dehydrogenase from Streptomyces platensis | Descriptor: | PtmO8 | Authors: | Kim, Y, Li, H, Endres, M, Babnigg, G, Rudolf, J, Ma, M, Chang, C.-Y, Shen, B, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro) | Deposit date: | 2015-11-30 | Release date: | 2015-12-30 | Last modified: | 2019-12-04 | Method: | X-RAY DIFFRACTION (2.099 Å) | Cite: | Crystal Structure of a Dehydrogenase, PtmO8, from Streptomyces platensis To Be Published
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5M7Z
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![BU of 5m7z by Molmil](/molmil-images/mine/5m7z) | Translation initiation factor 4E in complex with (SP)-m2(7,2'O)GppSepG mRNA 5' cap analog (beta-Se-ARCA D2) | Descriptor: | CHLORIDE ION, Eukaryotic translation initiation factor 4E, GLYCEROL, ... | Authors: | Warminski, M, Nowak, E, Kowalska, J, Jemielity, J, Nowotny, M. | Deposit date: | 2016-10-28 | Release date: | 2017-12-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.689 Å) | Cite: | Translation initiation factor 4E in complex with (SP)-m2(7,2'O)GppSepG mRNA 5' cap analog (beta-Se-ARCA D2) To Be Published
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208L
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![BU of 208l by Molmil](/molmil-images/mine/208l) | MUTANT HUMAN LYSOZYME C77A | Descriptor: | CYSTEINE, LYSOZYME | Authors: | Matsushima, M, Song, H. | Deposit date: | 1996-03-26 | Release date: | 1996-10-14 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A role of PDI in the reductive cleavage of mixed disulfides. J.Biochem.(Tokyo), 120, 1996
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5EZX
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![BU of 5ezx by Molmil](/molmil-images/mine/5ezx) | CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH {(1R,2R)-2-[(R)-2-Amino-4-(4-difluoromethoxy-phenyl)-4,5-dihydro-oxazol-4-yl]-cyclopropyl}-(5-chloro-pyridin-3-yl)-methanone | Descriptor: | Beta-secretase 1, DIMETHYL SULFOXIDE, SODIUM ION, ... | Authors: | Banner, D, Benz, J, Stihle, M, Kuglstatter, A. | Deposit date: | 2015-11-27 | Release date: | 2016-02-24 | Last modified: | 2016-05-25 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A Real-World Perspective on Molecular Design. J.Med.Chem., 59, 2016
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3KZY
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![BU of 3kzy by Molmil](/molmil-images/mine/3kzy) | Crystal structure of SNAP-tag | Descriptor: | Methylated-DNA--protein-cysteine methyltransferase, ZINC ION | Authors: | Bannwarth, M, Schmitt, S, Pojer, F, Schiltz, M, Johnsson, K. | Deposit date: | 2009-12-09 | Release date: | 2010-12-15 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | SNAP-tag structure To be Published
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6V3Z
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5ML5
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![BU of 5ml5 by Molmil](/molmil-images/mine/5ml5) | Human p38alpha MAPK in complex with imidazolyl pyridine inhibitor 11b | Descriptor: | 3-(2,5-dimethoxyphenyl)-~{N}-[4-[4-(4-fluorophenyl)-2-methylsulfanyl-1~{H}-imidazol-5-yl]pyridin-2-yl]propanamide, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | Authors: | Buehrmann, M, Rauh, D. | Deposit date: | 2016-12-06 | Release date: | 2017-04-05 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Optimized 4,5-Diarylimidazoles as Potent/Selective Inhibitors of Protein Kinase CK1 delta and Their Structural Relation to p38 alpha MAPK. Molecules, 22, 2017
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